UB Paderborn / Katalog / Suche / in CDI

Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking

The Journal of chemical physics, 2021-12, Vol.155 (22), p.224109-224109

2021

Link zum Volltext

Verfügbarkeit prüfen

Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations

Organometallics, 2012-10, Vol.31 (19), p.6761-6771

2012

Link zum Volltext

Verfügbarkeit prüfen

Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics

New journal of chemistry, 2013, Vol.37 (3), p.601-610

2013

Link zum Volltext

Verfügbarkeit prüfen

The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme

Magnetochemistry, 2017-12, Vol.3 (4), p.31

2017

Link zum Volltext

Verfügbarkeit prüfen

Fermi‐Löwdin orbital self‐interaction corrected density functional theory: Ionization potentials and enthalpies of formation

Journal of computational chemistry, 2018-11, Vol.39 (29), p.2463-2471

2018

Link zum Volltext

Verfügbarkeit prüfen

Synthesis and characterization of new derivatives of azulene, including experimental and theoretical studies of electronic and spectroscopic behavior

Journal of physical organic chemistry, 2012-10, Vol.25 (10), p.856-863

2012

Link zum Volltext

Verfügbarkeit prüfen

Electronic structure and transport properties of coupled CdS/ZnSe quantum dots

Journal of physics. Condensed matter, 2021-03, Vol.33 (12), p.125002

2021

Link zum Volltext

Verfügbarkeit prüfen

A gate controlled molecular switch based on picene-F₄TCNQ charge-transfer material

Nanoscale, 2014-11, Vol.6 (23), p.14508-14513

2014

Link zum Volltext

Verfügbarkeit prüfen

A gate controlled molecular switch based on picene-F4TCNQ charge-transfer materialElectronic supplementary information (ESI) available. See DOI: 10.1039/C4NR02455A

2014-11

Link zum Volltext

Verfügbarkeit prüfen

A gate controlled molecular switch based on picene-F sub(4)TCNQ charge-transfer material

Nanoscale, 2014-11, Vol.6 (23), p.14508-14513

2014

Link zum Volltext

Verfügbarkeit prüfen

A gate controlled molecular switch based on picene–F 4 TCNQ charge-transfer material

Nanoscale, 2014, Vol.6 (23), p.14508-14513

2014

Link zum Volltext

Verfügbarkeit prüfen

Composite Particles in Medium --- Effects of Substructure

Acta Physica Polonica. B, Proceedings Supplement, 2017, Vol.10 (3), p.921

2017

Link zum Volltext

Verfügbarkeit prüfen

NiII formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal propertiesElectronic supplementary information (ESI) available: Fig. S1 displaying IR spectra of 2-5, Fig. S2 displaying experimental and calculated IR spectra of 3 and computational details, Table S1 displaying further computational details of the magnetic properties of 3, Table S2 displaying the decomposition characteristics of 1-5, Table S3 displaying crystal and struct

2017-03

Link zum Volltext

Verfügbarkeit prüfen

Ni II formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties

Dalton transactions : an international journal of inorganic chemistry, 2017-03, Vol.46 (12), p.3963-3979

2017

Link zum Volltext

Verfügbarkeit prüfen

NiII formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties

Dalton transactions : an international journal of inorganic chemistry, 2017-03, Vol.46 (12), p.3963-3979

2017

Link zum Volltext

Verfügbarkeit prüfen

Electronic and magnetic properties of Co n Mo m nanoclusters from density functional calculations ( n + m = x and 2 ≤ x ≤ 6 atoms)

Physical review. B, Condensed matter and materials physics, 2015-04, Vol.91 (15), Article 155421

2015

Link zum Volltext

Verfügbarkeit prüfen

Electronic and magnetic properties of Co sub(n) Mo sub(m) nanoclusters from density functional calculations (n + m = x and 2 [< or =] x [< or =] 6 atoms)

Physical review. B, Condensed matter and materials physics, 2015-04, Vol.91 (15)

2015

Link zum Volltext

Verfügbarkeit prüfen

Effect of Molecular and Electronic Geometries on the Electronic Density in FLO-SIC

Optics and Its Applications, 2022, Vol.281, p.167-186

2022

Link zum Volltext

Verfügbarkeit prüfen

Systematic theoretical investigation of the phthalocyanine based dimer: MnPc super( delta +) /F sub(16) CoPc super( delta -)

Physical review. B, Condensed matter and materials physics, 2013-03, Vol.87 (11)

2013

Link zum Volltext

Verfügbarkeit prüfen

Systematic theoretical investigation of the phthalocyanine based dimer: MnPc δ + /F 16 CoPc δ

Physical review. B, Condensed matter and materials physics, 2013-03, Vol.87 (11), Article 115423

2013

Link zum Volltext

Verfügbarkeit prüfen

Strangeness and Light Fragment Production at High Baryon Density

The XVIII International Conference on Strangeness in Quark Matter (SQM 2019), p.183-190

Link zum Volltext

Verfügbarkeit prüfen

Synthesis of Sterically Encumbered Alkaline‐Earth Metal Amides Applying the In Situ Grignard Reagent Formation

Chemistry : a European journal, 2023-04, Vol.29 (23), p.e202300035-n/a

2023

Link zum Volltext

Verfügbarkeit prüfen

Health status of free-ranging ring-necked pheasant chicks (Phasianus colchicus) in North-Western Germany

PloS one, 2020-06, Vol.15 (6), p.e0234044-e0234044

2020

Link zum Volltext

Verfügbarkeit prüfen

In Situ Grignard Metalation Method for the Synthesis of Hauser Bases

Chemistry : a European journal, 2022-09, Vol.28 (50), p.e202201359-n/a

2022

Link zum Volltext

Verfügbarkeit prüfen

A Planar Five‐Membered Aromatic Ring Stabilized by Only Two π‐Electrons

Angewandte Chemie (International ed.), 2022-08, Vol.61 (31), p.e202206963-n/a

International ed. in English, 2022

Link zum Volltext

Verfügbarkeit prüfen

Menü

Weitere Dienste

Einstellungen

Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking

Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations

Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics

The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme

Fermi‐Löwdin orbital self‐interaction corrected density functional theory: Ionization potentials and enthalpies of formation

Synthesis and characterization of new derivatives of azulene, including experimental and theoretical studies of electronic and spectroscopic behavior

Electronic structure and transport properties of coupled CdS/ZnSe quantum dots

A gate controlled molecular switch based on picene-F₄TCNQ charge-transfer material

A gate controlled molecular switch based on picene-F4TCNQ charge-transfer materialElectronic supplementary information (ESI) available. See DOI: 10.1039/C4NR02455A

A gate controlled molecular switch based on picene-F sub(4)TCNQ charge-transfer material

A gate controlled molecular switch based on picene–F 4 TCNQ charge-transfer material

Composite Particles in Medium --- Effects of Substructure

Ni II formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties

NiII formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties

Electronic and magnetic properties of Co n Mo m nanoclusters from density functional calculations ( n + m = x and 2 ≤ x ≤ 6 atoms)

Electronic and magnetic properties of Co sub(n) Mo sub(m) nanoclusters from density functional calculations (n + m = x and 2 [< or =] x [< or =] 6 atoms)

Effect of Molecular and Electronic Geometries on the Electronic Density in FLO-SIC

Systematic theoretical investigation of the phthalocyanine based dimer: MnPc super( delta +) /F sub(16) CoPc super( delta -)

Systematic theoretical investigation of the phthalocyanine based dimer: MnPc δ + /F 16 CoPc δ

Strangeness and Light Fragment Production at High Baryon Density

Synthesis of Sterically Encumbered Alkaline‐Earth Metal Amides Applying the In Situ Grignard Reagent Formation

Health status of free-ranging ring-necked pheasant chicks (Phasianus colchicus) in North-Western Germany

In Situ Grignard Metalation Method for the Synthesis of Hauser Bases

A Planar Five‐Membered Aromatic Ring Stabilized by Only Two π‐Electrons

Suchergebnisse filtern